2-chloro-5-(3-chloro-4-methoxybutyl)thiophene

C9H12Cl2OS — CID 62320206

IUPAC2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
SMILESCOCC(Cl)CCc1ccc(Cl)s1
InChIInChI=1S/C9H12Cl2OS/c1-12-6-7(10)2-3-8-4-5-9(11)13-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBPOATHDJXSEVIB-UHFFFAOYSA-N
MW239.17 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene

2-chloro-5-(3-chloro-4-methoxybutyl)thiophene (PubChem CID 62320206) has the molecular formula C9H12Cl2OS and a molecular weight of 239.17 g/mol. Its IUPAC name is 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
PubChem CID62320206
Molecular FormulaC9H12Cl2OS
Molecular Weight239.17 g/mol
Exact Mass238.00
IUPAC Name2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
SMILESCOCC(Cl)CCc1ccc(Cl)s1
InChIInChI=1S/C9H12Cl2OS/c1-12-6-7(10)2-3-8-4-5-9(11)13-8/h4-5,7H,2-3,6H2,1H3
InChIKeyBPOATHDJXSEVIB-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methoxypropanoic acid
CID 106039755
2-[3-(5-chlorothiophen-2-yl)propanoylamino]-4-methoxybutanoic acid
CID 120703252
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene?
The IUPAC name of 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene (CID 62320206) is 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene.
What is the SMILES notation for 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene?
The canonical SMILES for 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene is COCC(Cl)CCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene?
The InChIKey is BPOATHDJXSEVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2OS/c1-12-6-7(10)2-3-8-4-5-9(11)13-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene?
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene has a molecular weight of 239.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chloro-4-methoxybutyl)thiophene is sourced from PubChem (CID 62320206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).